1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine

C17H20BrNO2 — CID 104659993

IUPAC1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1ccccc1Br)c1ccccc1OCCOC
InChIInChI=1S/C17H20BrNO2/c1-19-17(13-7-3-5-9-15(13)18)14-8-4-6-10-16(14)21-12-11-20-2/h3-10,17,19H,11-12H2,1-2H3
InChIKeyBYAMZYOQPBCVAI-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.78
Rot. Bonds7

About 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine

1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine (PubChem CID 104659993) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
PubChem CID104659993
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1ccccc1Br)c1ccccc1OCCOC
InChIInChI=1S/C17H20BrNO2/c1-19-17(13-7-3-5-9-15(13)18)14-8-4-6-10-16(14)21-12-11-20-2/h3-10,17,19H,11-12H2,1-2H3
InChIKeyBYAMZYOQPBCVAI-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659871
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 104659836
1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 107946713
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 104660548
1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 105035225
[[2-(2-methoxyethoxy)phenyl]-phenylmethyl]hydrazine
CID 105199390
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]-N,2-dimethylpropan-1-amine
CID 104660418
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 104660220
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine (CID 104659993) is 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine is CNC(c1ccccc1Br)c1ccccc1OCCOC.
What is the InChIKey of 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
The InChIKey is BYAMZYOQPBCVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-19-17(13-7-3-5-9-15(13)18)14-8-4-6-10-16(14)21-12-11-20-2/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine has a molecular weight of 350.26 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 104659993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).